4-Bromo-1-nitro-2-(trifluoromethyl)benzene

Basic Information

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CAS Number

344-38-7

Molecular Formula

C7H3BrF3NO2

Molecular Weight

270 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

32.0 to 38.0 deg-C

Boiling Point

100°C/5mmHg

Refractive Index

1.522-1.524

SMILES

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C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H3BrF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

InChIKey

ZHLYHEDQTJZYFI-UHFFFAOYSA-N

LogP

3.89930

Complexity

228

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

H315

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Bromo-1-nitro-2-(trifluoromethyl)benzene
SCHEMBL1812033
5-Bromo-2-nitrobenzotrifluoride
5-Bromo-2-mitrobenzotrifluoride
344-38-7
DTXSID90187970
A6066
MFCD00014706
AKOS015888975
5-Bromo-2-nitrobenzotrifluoride, 97%
CS-W012388
B2853
Benzene, 4-bromo-1-nitro-2-(trifluoromethyl)-
J-019606
J-514571
DS-10569
2-nitro-5-bromotrifluorotoluol
4-bromanyl-1-nitro-2-(trifluoromethyl)benzene
SY017086
FT-0620108
4-Bromo-1-nitro-2-trifluoromethyl-benzene
4-Bromo-1-nitro-2(trifluoromethyl)benzene
A822237
4-bromo-1-nitro-2-(trifluoromethyl)benzene
5-BROMO-A-A A-TRIFLUORO-2-NITROTOLUENE
1-bromo-4-nitro-3-trifluoromethylbenzene
2-NITRO-5-BROMOBENZOTRIFLUORID
2-NITRO-5-BROMOBENZOTRIFLUORIDE
2-nitro-5-broMotrifluorotoluol
3-(trifluoromethyl)-4-nitrobromobenzene
4-bromo-1-nitro-2-trifluoromethyl-benzene

MDL Number

MFCD00014706

FAQ

What are the physical and chemical properties of 4-Bromo-1-nitro-2-(trifluoromethyl)benzene (CAS: 344-38-7)?

4-Bromo-1-nitro-2-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 321.02 g/mol. It is slightly soluble in water but has good solubility in organic solvents like dichloromethane and acetonitrile. This compound is chemically reactive, particularly towards nucleophiles and reducing agents.

How is 4-Bromo-1-nitro-2-(trifluoromethyl)benzene (CAS: 344-38-7) typically synthesized?

4-Bromo-1-nitro-2-(trifluoromethyl)benzene is often synthesized via the nitration of 2-(trifluoromethyl)benzoyl bromide followed by bromination. The reaction typically requires a strong acid like sulfuric acid as a promoter and is carried out in a solvent such as acetic acid. The yield is generally around 70-80%, and the selectivity is high.

What industries use 4-Bromo-1-nitro-2-(trifluoromethyl)benzene (CAS: 344-38-7)?

4-Bromo-1-nitro-2-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also relevant in the polymer industry for the development of specific monomers and polymers. Additionally, it can be utilized in the electronics industry for the production of semiconductor materials.

What precautions should be taken when handling 4-Bromo-1-nitro-2-(trifluoromethyl)benzene (CAS: 344-38-7)?

When handling 4-Bromo-1-nitro-2-(trifluoromethyl)benzene, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted within a well-ventilated fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate solvents, and the material safety data sheet (MSDS) should be consulted for detailed spill and emergency response procedures.